Task 38695624

Name test_712-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0735_0
Workunit 31636313
Created 31 Oct 2026, 13:05:54 UTC
Sent 31 Oct 2026, 13:06:01 UTC
Report deadline 5 Nov 2026, 13:06:01 UTC
Received 31 Oct 2026, 14:02:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 88340
Run time 45 min 3 sec
CPU time 43 min 22 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,210.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 713.01 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
13:17:46 (20748): wrapper (7.9.26016): starting
13:17:46 (20748): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
13:17:47 (20748): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:17:47 (20748): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\0\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
14:01:50 (20748): C:/Windows/system32/cmd.exe exited; CPU time 2602.171875
14:01:50 (20748): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 34917155 bytes.
Dumping objects ->
{3835307} normal block at 0x000001CADAE0E200, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835296} normal block at 0x000001CAD91E5830, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x000001CAD91E5C90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835274} normal block at 0x000001CAD91E5C20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835263} normal block at 0x000001CAD91E5BB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835232} normal block at 0x000001CADAE566F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x000001CADAE6F240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835218} normal block at 0x000001CAD91E01C0, 8 bytes long.
 Data: <  y&#217;&#202;   > 00 00 79 D9 CA 01 00 00 
{3834571} normal block at 0x000001CADAE6F190, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001CAD91DFB80, 8 bytes long.
 Data: <&#224;O &#217;&#202;   > E0 4F 1E D9 CA 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001CAD91E21E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001CAD91D6930, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001CAD91E6610, 16 bytes long.
 Data: <&#184;r &#217;&#202;           > B8 72 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001CAD91E6ED0, 16 bytes long.
 Data: < r &#217;&#202;           > 90 72 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001CAD91E0410, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001CAD91E6020, 16 bytes long.
 Data: <hr &#217;&#202;           > 68 72 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001CAD91E6D90, 16 bytes long.
 Data: <@r &#217;&#202;           > 40 72 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CAD91E6520, 16 bytes long.
 Data: < r &#217;&#202;           > 18 72 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001CAD91E6A20, 16 bytes long.
 Data: <&#240;q &#217;&#202;           > F0 71 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CAD91E5B40, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001CAD91E6070, 16 bytes long.
 Data: <&#232;&#180; &#217;&#202;           > E8 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001CAD91E1130, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001CAD91E6340, 16 bytes long.
 Data: <&#192;&#180; &#217;&#202;           > C0 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CAD91E65C0, 16 bytes long.
 Data: < &#180; &#217;&#202;           > 98 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CAD91E6B60, 16 bytes long.
 Data: <p&#180; &#217;&#202;           > 70 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001CAD91E64D0, 16 bytes long.
 Data: <H&#180; &#217;&#202;           > 48 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CAD91E6700, 16 bytes long.
 Data: < &#180; &#217;&#202;           > 20 B4 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001CAD91E6200, 16 bytes long.
 Data: <&#248;&#179; &#217;&#202;           > F8 B3 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001CAD91E0470, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001CAD91E6CA0, 16 bytes long.
 Data: <&#208;&#179; &#217;&#202;           > D0 B3 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CAD91CB3D0, 320 bytes long.
 Data: <&#160;l &#217;&#202;   p  &#217;&#202;   > A0 6C 1E D9 CA 01 00 00 70 04 1E D9 CA 01 00 00 
{274} normal block at 0x000001CAD91E5FD0, 16 bytes long.
 Data: <&#208;q &#217;&#202;           > D0 71 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CAD91E6980, 16 bytes long.
 Data: <&#168;q &#217;&#202;           > A8 71 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CAD91E0770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001CAD91E6480, 16 bytes long.
 Data: < q &#217;&#202;           > 80 71 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001CAD91E05F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001CAD91E61B0, 16 bytes long.
 Data: <&#200;p &#217;&#202;           > C8 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001CAD91E6C50, 16 bytes long.
 Data: <&#160;p &#217;&#202;           > A0 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CAD91E6C00, 16 bytes long.
 Data: <xp &#217;&#202;           > 78 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CAD91E6660, 16 bytes long.
 Data: <Pp &#217;&#202;           > 50 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001CAD91E6A70, 16 bytes long.
 Data: <(p &#217;&#202;           > 28 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CAD91E6AC0, 16 bytes long.
 Data: < p &#217;&#202;           > 00 70 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CAD91E6430, 16 bytes long.
 Data: < Y &#217;&#202;           > 10 59 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CAD91E5910, 40 bytes long.
 Data: <0d &#217;&#202;   &#240;f&#229;&#218;&#202;   > 30 64 1E D9 CA 01 00 00 F0 66 E5 DA CA 01 00 00 
{260} normal block at 0x000001CAD91E63E0, 16 bytes long.
 Data: <&#224;o &#217;&#202;           > E0 6F 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CAD91E6930, 16 bytes long.
 Data: <&#184;o &#217;&#202;           > B8 6F 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CAD91E0530, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001CAD91E6BB0, 16 bytes long.
 Data: < o &#217;&#202;           > 90 6F 1E D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CAD91E6F90, 992 bytes long.
 Data: <&#176;k &#217;&#202;   0  &#217;&#202;   > B0 6B 1E D9 CA 01 00 00 30 05 1E D9 CA 01 00 00 
{92} normal block at 0x000001CAD91E1010, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001CAD91DFEF0, 16 bytes long.
 Data: <&#224;&#227; &#217;&#202;           > E0 E3 1C D9 CA 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001CAD91CE3E0, 40 bytes long.
 Data: <&#240;&#254; &#217;&#202;      &#217;&#202;   > F0 FE 1D D9 CA 01 00 00 10 10 1E D9 CA 01 00 00 
{69} normal block at 0x000001CAD91E0260, 16 bytes long.
 Data: < &#234;Y&#255;&#247;           > 80 EA 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001CAD91DFE00, 16 bytes long.
 Data: <@&#233;Y&#255;&#247;           > 40 E9 59 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001CAD91DFA40, 16 bytes long.
 Data: <&#248;WV&#255;&#247;           > F8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001CAD91DFDB0, 16 bytes long.
 Data: <&#216;WV&#255;&#247;           > D8 57 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001CAD91E0350, 16 bytes long.
 Data: <P V&#255;&#247;           > 50 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001CAD91DFD60, 16 bytes long.
 Data: <0 V&#255;&#247;           > 30 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001CAD91DFE50, 16 bytes long.
 Data: <&#224; V&#255;&#247;           > E0 02 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CAD91DFB30, 16 bytes long.
 Data: <  V&#255;&#247;           > 10 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CAD91DF950, 16 bytes long.
 Data: <p V&#255;&#247;           > 70 04 56 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CAD91E0120, 16 bytes long.
 Data: < &#192;T&#255;&#247;           > 18 C0 54 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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